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4-[3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propoxy]benzoic acid
4-[3-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propoxy]benzoic acid
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Descriptors Computed from Structure
Canonical SMILES:
C1=CC=C2C(=C1)C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)O
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)N=C(N2)SCCCOC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C18H16N2O4S/c21-16-14-4-1-2-5-15(14)19-18(20-16)25-11-3-10-24-13-8-6-12(7-9-13)17(22)23/h1-2,4-9H,3,10-11H2,(H,22,23)(H,19,20,21)
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